N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide

C23H24N6O3 — CID 159600176

IUPACN-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCOCC4)nn23)c1
InChIInChI=1S/C23H24N6O3/c1-24-22(30)16-5-3-4-15(10-16)20-13-25-21-11-19(17-12-26-28(2)14-17)23(27-29(20)21)32-18-6-8-31-9-7-18/h3-5,10-14,18H,6-9H2,1-2H3,(H,24,30)
InChIKeyMLJLUKMKPWLQLP-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.71
Rot. Bonds5

About N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide

N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 159600176) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID159600176
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCOCC4)nn23)c1
InChIInChI=1S/C23H24N6O3/c1-24-22(30)16-5-3-4-15(10-16)20-13-25-21-11-19(17-12-26-28(2)14-17)23(27-29(20)21)32-18-6-8-31-9-7-18/h3-5,10-14,18H,6-9H2,1-2H3,(H,24,30)
InChIKeyMLJLUKMKPWLQLP-UHFFFAOYSA-N
XLogP2.71
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 159600176) is N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide is CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCOCC4)nn23)c1.
What is the InChIKey of N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is MLJLUKMKPWLQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-24-22(30)16-5-3-4-15(10-16)20-13-25-21-11-19(17-12-26-28(2)14-17)23(27-29(20)21)32-18-6-8-31-9-7-18/h3-5,10-14,18H,6-9H2,1-2H3,(H,24,30).
What are the key properties of N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 159600176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).